tert-butyl(dichloromethyl)dimethylsilane

• ChemBase ID: 147282
• Molecular Formular: C7H16Cl2Si
• Molecular Mass: 199.19344
• Monoisotopic Mass: 198.0398324
• SMILES: CC(C)(C)[Si](C)(C)C(Cl)Cl
• Canonical SMILES: ClC([Si](C(C)(C)C)(C)C)Cl
• InChI: InChI=1S/C7H16Cl2Si/c1-7(2,3)10(4,5)6(8)9/h6H,1-5H3
• InChIKey: IIGQYABNVUNASW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl(dichloromethyl)dimethylsilane
• IUPAC Traditional name: tert-butyl(dichloromethyl)dimethylsilane
• Synonyms: tert-Butyl(dichloromethyl)dimethylsilane; 叔丁基(二氯甲基)二甲基硅烷

Database IDs

• CAS Number: 138983-08-1
• MDL Number: MFCD00799497
• PubChem SID: 24865545; 162241472
• PubChem CID: 4380225

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.3403
• LogD (pH = 7.4): 4.3403
• Log P: 4.3403
• Molar Refractivity: 46.1644 cm^3
• Polarizability: 20.226349 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 42-45 °C(lit.)
• Boiling Point: 70 °C/20 mmHg(lit.)

Safety Information

• European Hazard Symbols: Flammable (F)
• UN Number: 1325
• German water hazard class: 3
• Hazard Class: 4.1
• Packing Group: 2
• Risk Statements: 11
• Safety Statements: 16
• GHS Pictograms: GHS02
• GHS Signal Word: Danger
• GHS Hazard statements: H228
• GHS Precautionary statements: P210
• Personal Protective Equipment: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1325 4.1/PG 2
• Storage Temperature: -20°C

Product Information

• Purity: 98%
• Linear Formula: (CH3)3CSi(CH3)2CHCl2

DETAILS

Sigma Aldrich - 410683

Packaging
1 g in glass bottle